Geometry & MOs

Info

ID:	48500
PubChem CID:	10588811
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-202.06
Dipole, Da:	4.82
IP(EA), eV:	-10.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4S)-3-hydroperoxy-2-methylidene-4-phenylmethoxypentanoate

Drug info:

PubChemData

Smile

C=C1CC[C@H]2[C@@H](C(=O)O[C@@H]2[C@@]3([C@H]1C[C@H](C3=C)O)O)CO

DOS

IR

Vibrations